[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C14H18N2O4S2 — CID 129399733

IUPAC[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C14H18N2O4S2/c1-9-14(10(2)20-15-9)22(18,19)16-5-12(7-17)13(6-16)11-3-4-21-8-11/h3-4,8,12-13,17H,5-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyYNCLPCVDNHIPMI-OLZOCXBDSA-N
MW342.44 g/mol
LogP1.75
Rot. Bonds4

About [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 129399733) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID129399733
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESCc1noc(C)c1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1
InChIInChI=1S/C14H18N2O4S2/c1-9-14(10(2)20-15-9)22(18,19)16-5-12(7-17)13(6-16)11-3-4-21-8-11/h3-4,8,12-13,17H,5-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyYNCLPCVDNHIPMI-OLZOCXBDSA-N
XLogP1.75
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[(3S,4R)-1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol
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[(3R,4S)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
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1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
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[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 129399733) is [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol is Cc1noc(C)c1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1.
What is the InChIKey of [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is YNCLPCVDNHIPMI-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-9-14(10(2)20-15-9)22(18,19)16-5-12(7-17)13(6-16)11-3-4-21-8-11/h3-4,8,12-13,17H,5-7H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129399733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).